3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide

C14H21N3O4S — CID 100716037

IUPAC3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O
InChIInChI=1S/C14H21N3O4S/c1-8-13(9(2)21-16-8)14(18)15-10-6-11-4-5-12(7-10)17(11)22(3,19)20/h10-12H,4-7H2,1-3H3,(H,15,18)/t10?,11-,12+
InChIKeyKWMISIQIFOYOOL-YOGCLGLASA-N
MW327.41 g/mol
LogP0.98
Rot. Bonds3

About 3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 100716037) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID100716037
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O
InChIInChI=1S/C14H21N3O4S/c1-8-13(9(2)21-16-8)14(18)15-10-6-11-4-5-12(7-10)17(11)22(3,19)20/h10-12H,4-7H2,1-3H3,(H,15,18)/t10?,11-,12+
InChIKeyKWMISIQIFOYOOL-YOGCLGLASA-N
XLogP0.98
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide (CID 100716037) is 3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O.
What is the InChIKey of 3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is KWMISIQIFOYOOL-YOGCLGLASA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-8-13(9(2)21-16-8)14(18)15-10-6-11-4-5-12(7-10)17(11)22(3,19)20/h10-12H,4-7H2,1-3H3,(H,15,18)/t10?,11-,12+.
What are the key properties of 3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100716037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).